4-Quinoxalin-2-ylphenol

Base Information

• Chemical Name: 4-Quinoxalin-2-ylphenol
• CAS No.: 33707-91-4
• Molecular Formula: C14H10N2O
• Molecular Weight: 222.246
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID401333339
• Nikkaji Number: J2.832.827C
• ChEMBL ID: CHEMBL1730860
• Mol file: 33707-91-4.mol

Synonyms:4-quinoxalin-2-ylphenol;4-(quinoxalin-2-yl)phenol;33707-91-4;CHEMBL1730860;4-(2-Quinoxalinyl)phenol;2-(4-Hydroxyphenyl)quinoxaline;Cambridge id 5162729;Oprea1_684788;Oprea1_757825;CBDivE_010896;MLS001143382;SCHEMBL1160811;DTXSID401333339;HMS1578G20;HMS2797A15;BDBM50245730;MFCD00117343;STK183788;AKOS000265044;AS-58066;SMR000473217;CS-0217954;FT-0746931;EN300-94827;F81453;AB00074768-01;A913202;AE-848/34759050;SR-01000391606;SR-01000391606-1;Z57151642

Chemical Property of 4-Quinoxalin-2-ylphenol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 204 °C
• Boiling Point: 408.549°C at 760 mmHg
• PKA: 8.44±0.15(Predicted)
• Flash Point: 200.884°C
• PSA: 46.01000
• Density: 1.279g/cm³
• LogP: 3.00240
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 222.079312947
• Heavy Atom Count: 17
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

4-quinoxalin-2-ylphenol ^*data from reagent suppliers

Safty Information:

• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)O

Technology Process of 4-Quinoxalin-2-ylphenol

There total 5 articles about 4-Quinoxalin-2-ylphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone (2491-38-5) + 1,2-diamino-benzene (95-54-5) → 2-(4-hydroxyphenyl)quinoxaline (33707-91-4)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In tetrahydrofuran; at 20 ℃; for 0.583333h;

DOI:10.1016/j.tetlet.2010.01.107

Reference yield: 81.0%

tyrosamine (51-67-2) + 1,2-diamino-benzene (95-54-5) → 2-(4-hydroxyphenyl)quinoxaline (33707-91-4)

Guidance literature:

With oxygen; copper(I) bromide; In chlorobenzene; at 20 ℃; for 9h;

DOI:10.1039/c7ob00122c

Reference yield:

(4-hydroxylphenyl)glyoxal (24645-80-5) + 1,2-diamino-benzene (95-54-5) → 2-(4-hydroxyphenyl)quinoxaline (33707-91-4)

Guidance literature:

With water;

upstream raw materials:

(4-hydroxylphenyl)glyoxal

1,2-diamino-benzene

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

4-Hydroxyacetophenone

Downstream raw materials:

acetic acid-(4-quinoxalin-2-yl-phenyl ester)

benzoic acid-(4-quinoxalin-2-yl-phenyl ester)

2-(4-methoxyphenyl)quinoxaline

3-nitro-4-(quinoxalin-2-yl)phenol